Related papers: Continuum Schroedinger operators for sharply termi…
The flat band of edge states which occur in the simple tight-binding lattice model of graphene with a zig-zag edge have long been conjectured to take up a ferromagnetic configuration. In this work we demonstrate that, for a large class of…
We consider Schr\"odinger operators with periodic potentials on periodic discrete graphs. The spectrum of the Schr\"odinger operator consists of an absolutely continuous part (a union of a finite number of non-degenerated bands) plus a…
We present, to the best of our knowledge, the first numerical algorithm for explicit, computable two-sided eigenvalue bounds for Schr\"odinger operators H = -Delta + V on R^N, N = 2,3, in the presence of both an unbounded potential and an…
We consider the unperturbed operator $H_0: = (-i \nabla - {\bf A})^2 + W$, self-adjoint in $L^2({\mathbb R}^2)$. Here ${\bf A}$ is a magnetic potential which generates a constant magnetic field $b>0$, and the edge potential $W = \bar{W}$ is…
We demonstrate that free graphene sheet edges can curl back on themselves,reconstructing as nanotubes. This results in lower formation energies than any other non-functionalised edge structure reported to date in the literature. We…
We show that whole-line Schr\"odinger operators with finitely many bound states have no embedded singular spectrum. In contradistinction, we show that embedded singular spectrum is possible even when the bound states approach the essential…
We consider the quantum graph Hamiltonian on the square lattice in Euclidean space, and we show that the spectrum of the Hamiltonian converges to the corresponding Schr\"odinger operator on the Euclidean space in the continuum limit, and…
We investigate the Schr\"{o}dinger operators $H_\varepsilon=-\Delta +W+V_\varepsilon$ in $\mathbb{R}^2$ with the short-range potentials $V_\varepsilon$ which are localized around a smooth closed curve $\gamma$. The operators $H_\varepsilon$…
We derive the boundary conditions for MoS$_2$ and similar transition-metal dichalcogenide honeycomb (2H polytype) monolayers with the same type of $\mathbf{k}\!\cdot\!\mathbf{p}$ Hamiltonian within the continuum model around the K points.…
In this paper we study the operator $H_{\beta}=-\Delta-\beta\delta(\cdot-\Gamma)$ in $L^{2}(\mathbb{R}^{2})$, where $\Gamma$ is a smooth periodic curve in $\mathbb{R}^{2}$. We obtain the asymptotic form of the band spectrum of $H_{\beta}$…
We consider plane junctions with graphene electrodes, which are formed by a single-level system ("molecule") placed between the edges of two single-layer graphene half planes. We calculate the edge Green functions of the electrodes and the…
The edges of graphene nanoribbons (GNRs) have attracted much interest due to their potentially strong influence on GNR electronic and magnetic properties. Here we report the ability to engineer the microscopic edge termination of high…
We develop a general approach to study three-dimensional Schroedinger operators with confining potentials depending on the distance to a surface. The main idea is to apply parallel coordinates based on the surface but outside its cut locus…
We analyze the spectrum of the generalized Schrodinger operator in $L^2(R^\nu) \nu \geq 2$, with a general local, rotationally invariant singular interaction supported by an infinite family of concentric, equidistantly spaced spheres. It is…
Edge engineering is important for both fundamental research and applications as the device size decreases to nanometer scale. This is especially the case for graphene because a graphene edge shows totally different electronic properties…
We study a model Schr\"odinger operator with constant magnetic field on an infinite wedge with Neumann boundary condition. The magnetic field is assumed to be tangent to a face. We compare the bottom of the spectrum to the model spectral…
In this work, results are presented of Hybrid-Monte-Carlo simulations of the tight-binding Hamiltonian of graphene, coupled to an instantaneous long-range two-body potential which is modeled by a Hubbard-Stratonovich auxiliary field. We…
The discrete one-dimensional Schr\"odinger operator is studied in the finite interval of length $N=2 M$ with the Dirichlet boundary conditions and an arbitrary potential even with respect to the spacial reflections. It is shown, that the…
Electronic band structures in hydrogenated graphene are theoretically investigated by means of first-principle calculations and an effective tight-binding model. It is shown that regularly designed hydrogenation to graphene gives rise to a…
The intriguing properties of graphene, a two-dimensional material composed of a honeycomb lattice of carbon atoms, have attracted a great deal of interest in recent years. Specifically, the fact that electrons in graphene behave as massless…